(1S)-N-methyl-1-phenylethanamine

C9H13N — CID 2060073

IUPAC(1S)-N-methyl-1-phenylethanamine
SMILESCN[C@@H](C)c1ccccc1
InChIInChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeyRCSSHZGQHHEHPZ-QMMMGPOBSA-N
MW135.21 g/mol
LogP1.97
Rot. Bonds2

About (1S)-N-methyl-1-phenylethanamine

(1S)-N-methyl-1-phenylethanamine (PubChem CID 2060073) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1S)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-phenylethanamine
PubChem CID2060073
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1S)-N-methyl-1-phenylethanamine
SMILESCN[C@@H](C)c1ccccc1
InChIInChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKeyRCSSHZGQHHEHPZ-QMMMGPOBSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-phenylethanamine?
The IUPAC name of (1S)-N-methyl-1-phenylethanamine (CID 2060073) is (1S)-N-methyl-1-phenylethanamine.
What is the SMILES notation for (1S)-N-methyl-1-phenylethanamine?
The canonical SMILES for (1S)-N-methyl-1-phenylethanamine is CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-N-methyl-1-phenylethanamine?
The InChIKey is RCSSHZGQHHEHPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-N-methyl-1-phenylethanamine?
(1S)-N-methyl-1-phenylethanamine has a molecular weight of 135.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 2060073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).